N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C16H24N4O — CID 82765044

IUPACN-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCC1(CC)CC(Nc2cc(C)cc3ncnn23)CCO1
InChIInChI=1S/C16H24N4O/c1-4-16(5-2)10-13(6-7-21-16)19-15-9-12(3)8-14-17-11-18-20(14)15/h8-9,11,13,19H,4-7,10H2,1-3H3
InChIKeyXYHTYOOGUMONIO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.19
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 82765044) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID82765044
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCC1(CC)CC(Nc2cc(C)cc3ncnn23)CCO1
InChIInChI=1S/C16H24N4O/c1-4-16(5-2)10-13(6-7-21-16)19-15-9-12(3)8-14-17-11-18-20(14)15/h8-9,11,13,19H,4-7,10H2,1-3H3
InChIKeyXYHTYOOGUMONIO-UHFFFAOYSA-N
XLogP3.19
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 82765044) is N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CCC1(CC)CC(Nc2cc(C)cc3ncnn23)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is XYHTYOOGUMONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-16(5-2)10-13(6-7-21-16)19-15-9-12(3)8-14-17-11-18-20(14)15/h8-9,11,13,19H,4-7,10H2,1-3H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 288.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 82765044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).